Synthesis and molecular structure of half-sandwich ruthenium(II) complexes containing pyrazolyl ligands: Solvent induced geometrical change in κ2-scorpionate supported complexsupported complex

G, R and S, N and PM, M and Kulkarni, NV and Senthurpandi, D and Yamijala, SSRKC and Brennessel, WW and Jones, WD (2022) Synthesis and molecular structure of half-sandwich ruthenium(II) complexes containing pyrazolyl ligands: Solvent induced geometrical change in κ2-scorpionate supported complexsupported complex. In: Journal of Molecular Structure, 1251 .

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Abstract

Four half-sandwich ruthenium(II) complexes were prepared by reacting dichloro(p-cymene)ruthenium(II) dimer or dichloro(benzene)ruthenium(II) dimer with 3,5-dimethylpyrazole (L1), bis(3,5-dimethylpyrazolyl)methane (L2), tris(3,5-dimethylpyrazolyl)methane (L3) and potassium tris(3,5-dimethylpyrazolyl)borate (L4) under air free conditions in good yields. All of the complexes were duly characterized by molar conductivity measurement, IR, UV, NMR spectroscopy, and elemental analysis. Solid state molecular structures of the complexes C2 and C4 were determined by single crystal X-ray crystallographic studies. Profound influence of the steric factors of the ligand substituents on the coordination chemistry and molecular structure of the complexes was profiled and compared with the related complexes in literature. An interesting solvent induced geometrical change was documented in the case of complex C4, bearing κ2-tris(3,5-dimethylpyrazolyl)borate and η6-p-cymene ligands. DFT calculations were used to understand the energetics and electronic structures of the polymorphic structures C4 and C4´.

Item Type:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier B.V.
Additional Information:	The copyright for this article belongs to the Elsevier B.V.
Keywords:	Chelation; Dimers; Electronic structure; Geometry; Methane; Molecular structure; Nuclear magnetic resonance spectroscopy; Ruthenium compounds; Single crystals; Solvents; Synthesis (chemical); X ray crystallography, Geometrical changes; Half-sandwich; Half-sandwich ruthenium(II) complex; p-Cymene; Pyrazolyl; Pyrazolyl ligand; Scorpionate complex; Solvent induced; Solvent induced geometrical change; Steric effect, Ligands
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	05 Jan 2022 10:59
Last Modified:	05 Jul 2022 05:25
URI:	https://eprints.iisc.ac.in/id/eprint/70868

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